CID 23819

Refchem:821557

Structural Information

Molecular Formula
C8H20N6
SMILES
C(CCCN=C(N)N)CCN=C(N)N
InChI
InChI=1S/C8H20N6/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14)
InChIKey
WBLYUCKTWSGGBI-UHFFFAOYSA-N
Compound name
2-[6-(diaminomethylideneamino)hexyl]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

60
Patents

200.17494 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18222 145.8
[M+Na]+ 223.16416 148.2
[M-H]- 199.16766 146.5
[M+NH4]+ 218.20876 163.1
[M+K]+ 239.13810 148.1
[M+H-H2O]+ 183.17220 137.6
[M+HCOO]- 245.17314 173.6
[M+CH3COO]- 259.18879 205.1
[M+Na-2H]- 221.14961 147.5
[M]+ 200.17439 139.8
[M]- 200.17549 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.